SCHEMBL28615780

SCHEMBL28615780

N#CC(=CC(=O)O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
MAPT P10636 3/20 0.46
RAB9A P51151 3/20 0.43
NPC1 O15118 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
PTPN1 P18031 1/20 0.42
GSK3B P49841 1/20 0.42
LMNA P02545 2/20 0.41
CDC25B P30305 1/20 0.41
ATM Q13315 1/20 0.41
FFAR1 O14842 1/20 0.41
CYP1A2 P05177 1/20 0.41
HIF1A Q16665 1/20 0.41
HPGD P15428 2/20 0.40
DHODH Q02127 1/20 0.40
ERCC5 P28715 1/20 0.40
FEN1 P39748 1/20 0.40
HAO1 Q9UJM8 1/20 0.40
EGFR P00533 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9467823 0.98 SMN1; SMN2 (0.44) SMN1; SMN2MAPTRAB9ANPC1CTDSP1
SCHEMBL9467815 0.98 SMN1; SMN2 (0.44) SMN1; SMN2MAPTRAB9ANPC1CTDSP1
SCHEMBL19471869 0.89 ALDH1A1 (0.46) SMN1; SMN2MAPTRAB9ANPC1L3MBTL1
SCHEMBL670068 0.89 ALDH1A1 (0.46) SMN1; SMN2MAPTRAB9ANPC1L3MBTL1
SCHEMBL305984 0.89 ALDH1A1 (0.46) SMN1; SMN2MAPTRAB9ANPC1L3MBTL1
SCHEMBL9468126 0.87 ALDH1A1 (0.45) SMN1; SMN2MAPTRAB9ANPC1L3MBTL1
SCHEMBL9468123 0.87 ALDH1A1 (0.45) SMN1; SMN2MAPTRAB9ANPC1L3MBTL1
Hydrochloric Acid SCHEMBL11318740 0.87 ALDH1A1 (0.45) SMN1; SMN2MAPTRAB9ANPC1L3MBTL1
SCHEMBL9468108 0.87 ALDH1A1 (0.45) SMN1; SMN2MAPTRAB9ANPC1L3MBTL1
SCHEMBL26601236 0.86 SMN1; SMN2 (0.43) SMN1; SMN2MAPTRAB9ANPC1CTDSP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108348448-B Oil-in-water organopolysiloxane emulsion, method for producing same, cosmetic raw material, and cosmetic 陶氏东丽株式会社 2021-08-20 CN disclosed